Structure of PDB 7qr6 Chain C Binding Site BS01

Receptor Information
>7qr6 Chain C (length=475) Species: 48935 (Novosphingobium aromaticivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFPNTPSFTGFNTPSRIEADIADLAHEGTIPQGLNGAFYRVQPDPQFPPR
DIAFNGDGMITRFHIHDGQVDFRQRWAKTDKWKLENAAGKALFGAYRNPL
TDDEAVKGEIRSTANTNAFVFGGKLWAMKEDSPALVMDPATMETFGFEKF
GGKMTGQTFTAHPKVDPKTGNMVAIGYAASGLCTDDVTYMEVSPEGELVR
EVWFKVPYYCMMHDFGITEDYLVLHIVPSIGSWERLEQGKPHFGFDTTMP
VHLGIIPRRDGVRQEDIRWFTRDNCFAFHVLNAWQEGTKIHFVTCEAKNN
MFPFFPDVHGAPFNGMEAMSHPTDWVVDMASNGEDFAGIVKLSDTAAEFP
RIDDRFTGQKTRHGWFLEMDMKRPVELLMNCLFHKDFETGREQHWWCGPV
SSLQEPCFVPRAKDAPEGDGWIVQVCNRLEEQRSDLLIFDALDIEKGPVA
TVNIPIRLRFGLHGNWANADEIGLA
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain7qr6 Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qr6 Rationally Guided Improvement of NOV1 Dioxygenase for the Conversion of Lignin-Derived Isoeugenol to Vanillin.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H167 H218 H284 H476
Binding residue
(residue number reindexed from 1)		H162 H213 H279 H463
Annotation score4
Enzymatic activity
Enzyme Commision number 1.13.11.-
Gene Ontology
Molecular Function
GO:0010436 carotenoid dioxygenase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0016121 carotene catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qr6, PDBe:7qr6, PDBj:7qr6
PDBsum7qr6
PubMed35687874
UniProtQ2GA76

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